4,4-difluoro-6-methoxy-1,2,3,5-tetrahydro-1-benzazepine

C11H13F2NO — CID 84723504

IUPAC4,4-difluoro-6-methoxy-1,2,3,5-tetrahydro-1-benzazepine
SMILESCOc1cccc2c1CC(F)(F)CCN2
InChIInChI=1S/C11H13F2NO/c1-15-10-4-2-3-9-8(10)7-11(12,13)5-6-14-9/h2-4,14H,5-7H2,1H3
InChIKeyOSBMGXBFQKXNMY-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.69
Rot. Bonds1

About 4,4-difluoro-6-methoxy-1,2,3,5-tetrahydro-1-benzazepine

4,4-difluoro-6-methoxy-1,2,3,5-tetrahydro-1-benzazepine (PubChem CID 84723504) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 4,4-difluoro-6-methoxy-1,2,3,5-tetrahydro-1-benzazepine.

Molecular Properties

Compound Name4,4-difluoro-6-methoxy-1,2,3,5-tetrahydro-1-benzazepine
PubChem CID84723504
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name4,4-difluoro-6-methoxy-1,2,3,5-tetrahydro-1-benzazepine
SMILESCOc1cccc2c1CC(F)(F)CCN2
InChIInChI=1S/C11H13F2NO/c1-15-10-4-2-3-9-8(10)7-11(12,13)5-6-14-9/h2-4,14H,5-7H2,1H3
InChIKeyOSBMGXBFQKXNMY-UHFFFAOYSA-N
XLogP2.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,4-difluoro-6-methoxy-1,2,3,5-tetrahydro-1-benzazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4-difluoro-1,2,3,5-tetrahydro-1-benzazepin-6-ol
CID 84721057
5-methoxy-1,2,3,4-tetrahydroquinoline;dihydrochloride
CID 133058760
6-methoxy-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine
CID 115015195
4-methoxyspiro[1,2-dihydroindole-3,1'-cyclopropane]
CID 72698777
N,N-diethyl-5-methoxy-1,2,3,4-tetrahydroquinolin-3-amine
CID 105495080
N-(2-methoxyphenyl)-N-methyl-1,2,3,4-tetrahydroquinolin-5-amine
CID 81214445
4-(1-methylcyclobutyl)oxy-2,3-dihydro-1H-indole
CID 115074311
4,4-dimethyl-1,2,3,5-tetrahydro-1-benzazepine;ethane
CID 142006260
5-methoxy-3,3-dimethyl-2,4-dihydro-1H-naphthalene
CID 177395557
6-methoxyspiro[4,5-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopropane]-2-one
CID 115099069
4-(4-methylpiperidin-4-yl)oxy-2,3-dihydro-1H-indole
CID 115074334
5-methoxy-1,4-dihydro-3,1-benzoxazine-2-thione
CID 84773577

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-6-methoxy-1,2,3,5-tetrahydro-1-benzazepine?
The IUPAC name of 4,4-difluoro-6-methoxy-1,2,3,5-tetrahydro-1-benzazepine (CID 84723504) is 4,4-difluoro-6-methoxy-1,2,3,5-tetrahydro-1-benzazepine.
What is the SMILES notation for 4,4-difluoro-6-methoxy-1,2,3,5-tetrahydro-1-benzazepine?
The canonical SMILES for 4,4-difluoro-6-methoxy-1,2,3,5-tetrahydro-1-benzazepine is COc1cccc2c1CC(F)(F)CCN2.
What is the InChIKey of 4,4-difluoro-6-methoxy-1,2,3,5-tetrahydro-1-benzazepine?
The InChIKey is OSBMGXBFQKXNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-15-10-4-2-3-9-8(10)7-11(12,13)5-6-14-9/h2-4,14H,5-7H2,1H3.
What are the key properties of 4,4-difluoro-6-methoxy-1,2,3,5-tetrahydro-1-benzazepine?
4,4-difluoro-6-methoxy-1,2,3,5-tetrahydro-1-benzazepine has a molecular weight of 213.23 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-6-methoxy-1,2,3,5-tetrahydro-1-benzazepine is sourced from PubChem (CID 84723504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).